[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone

C24H17NO5S — CID 121485521

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc3occc3c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H17NO5S/c1-29-19-8-9-21-18(14-19)15-22(25(21)31(27,28)20-5-3-2-4-6-20)24(26)17-7-10-23-16(13-17)11-12-30-23/h2-15H,1H3
InChIKeyBQYGANWODYSOGT-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.86
Rot. Bonds5

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone (PubChem CID 121485521) has the molecular formula C24H17NO5S and a molecular weight of 431.47 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
PubChem CID121485521
Molecular FormulaC24H17NO5S
Molecular Weight431.47 g/mol
Exact Mass431.08
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc3occc3c1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H17NO5S/c1-29-19-8-9-21-18(14-19)15-22(25(21)31(27,28)20-5-3-2-4-6-20)24(26)17-7-10-23-16(13-17)11-12-30-23/h2-15H,1H3
InChIKeyBQYGANWODYSOGT-UHFFFAOYSA-N
XLogP4.86
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone (CID 121485521) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone is COc1ccc2c(c1)cc(C(=O)c1ccc3occc3c1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone?
The InChIKey is BQYGANWODYSOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO5S/c1-29-19-8-9-21-18(14-19)15-22(25(21)31(27,28)20-5-3-2-4-6-20)24(26)17-7-10-23-16(13-17)11-12-30-23/h2-15H,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone has a molecular weight of 431.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone is sourced from PubChem (CID 121485521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).